2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid

C13H17NO4 — CID 61011942

IUPAC2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(C)ccc1O
InChIInChI=1S/C13H17NO4/c1-3-6-14(8-12(16)17)13(18)10-7-9(2)4-5-11(10)15/h4-5,7,15H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyYLFHCMXQROZPNX-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.64
Rot. Bonds5

About 2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid

2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid (PubChem CID 61011942) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
PubChem CID61011942
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc(C)ccc1O
InChIInChI=1S/C13H17NO4/c1-3-6-14(8-12(16)17)13(18)10-7-9(2)4-5-11(10)15/h4-5,7,15H,3,6,8H2,1-2H3,(H,16,17)
InChIKeyYLFHCMXQROZPNX-UHFFFAOYSA-N
XLogP1.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
CID 54901352
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 4119461
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
CID 107729311
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
2-[(2,5-dimethylbenzoyl)-prop-2-ynylamino]acetic acid
CID 79280095
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid (CID 61011942) is 2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid?
The InChIKey is YLFHCMXQROZPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-6-14(8-12(16)17)13(18)10-7-9(2)4-5-11(10)15/h4-5,7,15H,3,6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid?
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid is sourced from PubChem (CID 61011942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).